Instructions
Input Data

By uploading file which provides information about 512-dimensional vector characterization (*.csv).

Molecule Back-engineering

Based on the input data, 512-dimensional vector will be back-engineered to the corresponding uniform canonical SMILES string through the application of decoder network.

Output File

The information about the SMILES strings, structure graphs and final status will be presented at the Summary Page. The information about SMILES string is also available for saving (*.csv).

Calculation
  • 1. It should be noted that the arbitrary combination of values (from-1 to 1) may lead to the invalid/ fail structure transformation, which will be tagged in the status.
  • 2. Please ensure the correct file format when input vectors information.